5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole

C11H19N3 — CID 82234810

IUPAC5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
SMILESCc1[nH]c(C2CCCN2)nc1C(C)C
InChIInChI=1S/C11H19N3/c1-7(2)10-8(3)13-11(14-10)9-5-4-6-12-9/h7,9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyJQHXFWMVTQTGIE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.27
Rot. Bonds2

About 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole

5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 82234810) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID82234810
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
SMILESCc1[nH]c(C2CCCN2)nc1C(C)C
InChIInChI=1S/C11H19N3/c1-7(2)10-8(3)13-11(14-10)9-5-4-6-12-9/h7,9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyJQHXFWMVTQTGIE-UHFFFAOYSA-N
XLogP2.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650699
2-[4-(furan-2-yl)-5-methyl-1H-imidazol-2-yl]piperidine
CID 62633980
2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine
CID 61335496
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole (CID 82234810) is 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole is Cc1[nH]c(C2CCCN2)nc1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is JQHXFWMVTQTGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7(2)10-8(3)13-11(14-10)9-5-4-6-12-9/h7,9,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole?
5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 193.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 82234810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).